氨茶碱
TL;DR: 氨茶碱 (CAS 317-34-0) is a chemical compound with molecular formula C16H24N10O4 and molecular weight 420.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氨茶碱
bis(1,3-dimethyl-7H-purine-2,6-dione);ethane-1,2-diamine
Also Known As: aminophylline, Aminophyllin, Cardophyllin, Phyllocontin, Syntophyllin
| Molecular Formula | C16H24N10O4 |
|---|---|
| Molecular Weight | 420.20 g/mol |
| LogP | -3.18 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 420.1982 |
| Heavy Atoms | 30 |
| Complexity | 273.0 |
| Solubility | 200000 |
Chemical Identifiers
| CAS Number | 317-34-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N |
| InChIKey | FQPFAHBPWDRTLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氨茶碱 (CAS 317-34-0), with molecular formula C16H24N10O4 and molecular weight 420.20 g/mol. IUPAC: bis(1,3-dimethyl-7H-purine-2,6-dione);ethane-1,2-diamine.
Chemical Property Profile of 氨茶碱
Property Insights of 氨茶碱
The XLogP value of -3.18 indicates that 氨茶碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting 氨茶碱 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 氨茶碱 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 氨茶碱?
The CAS number of 氨茶碱 is 317-34-0.
What is the molecular formula of 氨茶碱?
The molecular formula of 氨茶碱 is C16H24N10O4.
What is the molecular weight of 氨茶碱?
The molecular weight of 氨茶碱 is 420.20 g/mol.
Where can I buy 氨茶碱?
You can request a quote for 氨茶碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氨茶碱?
Yes, KEHONG BIO provides custom synthesis services for 氨茶碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.